2-[(5Z)-5-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenyl-ethanoic acid

Systemtic Name: 2-[(5Z)-5-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenyl-ethanoic acid Openeye Name: 2-[(5Z)-5-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]-2-phenyl-acetic acid CAS Name: 2-[(5Z)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-2-phenylacetic acid IUPAC Name: 2-[(5Z)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenylacetic acid Traditional Name: 2-[(5Z)-5-(4-hydroxy-3-methoxy-5-nitro-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]-2-phenyl-acetic acid Formula: C19H14N2O7S2 MolecularWeight: 446.45366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=C2C(=O)N(C(=S)S2)C(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])/C=C\2/C(=O)N(C(=S)S2)C(C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C19H14N2O7S2/c1-28-13-8-10(7-12(16(13)22)21(26)27)9-14-17(23)20(19(29)30-14)15(18(24)25)11-5-3-2-4-6-11/h2-9,15,22H,1H3,(H,24,25)/b14-9-